[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane

C14H22NPS — CID 129124893

IUPAC[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane
SMILESCCC/C=C1\C=CC(PC)=CN1/C=C(\C)SC
InChIInChI=1S/C14H22NPS/c1-5-6-7-13-8-9-14(16-3)11-15(13)10-12(2)17-4/h7-11,16H,5-6H2,1-4H3/b12-10+,13-7+
InChIKeyHCXXVLOWICBDFY-PVYBRLDNSA-N
MW267.38 g/mol
LogP4.92
Rot. Bonds5

About [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane

[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane (PubChem CID 129124893) has the molecular formula C14H22NPS and a molecular weight of 267.38 g/mol. Its IUPAC name is [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane.

Molecular Properties

Compound Name[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane
PubChem CID129124893
Molecular FormulaC14H22NPS
Molecular Weight267.38 g/mol
Exact Mass267.12
IUPAC Name[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane
SMILESCCC/C=C1\C=CC(PC)=CN1/C=C(\C)SC
InChIInChI=1S/C14H22NPS/c1-5-6-7-13-8-9-14(16-3)11-15(13)10-12(2)17-4/h7-11,16H,5-6H2,1-4H3/b12-10+,13-7+
InChIKeyHCXXVLOWICBDFY-PVYBRLDNSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane?
The IUPAC name of [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane (CID 129124893) is [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane.
What is the SMILES notation for [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane?
The canonical SMILES for [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane is CCC/C=C1\C=CC(PC)=CN1/C=C(\C)SC.
What is the InChIKey of [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane?
The InChIKey is HCXXVLOWICBDFY-PVYBRLDNSA-N. The full InChI is InChI=1S/C14H22NPS/c1-5-6-7-13-8-9-14(16-3)11-15(13)10-12(2)17-4/h7-11,16H,5-6H2,1-4H3/b12-10+,13-7+.
What are the key properties of [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane?
[(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane has a molecular weight of 267.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-6-butylidene-1-[(E)-2-methylsulfanylprop-1-enyl]-3-pyridinyl]-methylphosphane is sourced from PubChem (CID 129124893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).